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82961-52-2 | Benzene,1-chloro-2-methyl-3-(methylthio)-
CAS No: 82961-52-2 Catalog No: AG0036FU MDL No:MFCD08458263
Product Description
Catalog Number:
AG0036FU
Chemical Name:
Benzene,1-chloro-2-methyl-3-(methylthio)-
CAS Number:
82961-52-2
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
MDL Number:
MFCD08458263
IUPAC Name:
1-chloro-2-methyl-3-methylsulfanylbenzene
InChI:
InChI=1S/C8H9ClS/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChI Key:
QNMYJMZVOFQIRD-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1C)Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.67g/mol
Monoisotopic Mass:
172.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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